BioLiP

PDB

BioLiP

PDB CCD ID:

A1IW5

Number of entries in BioLiP:

Chemical formula:

C12 H14 N2 O2

InChI:

InChI=1S/C12H14N2O2/c1-14(9-5-3-2-4-6-9)10-7-8-11(15)13-12(10)16/h2-6,10H,7-8H2,1H3,(H,13,15,16)/t10-/m0/s1

InChIKey:

SVQCBKFBNAEURT-JTQLQIEISA-N

SMILES:

Software	SMILES
CACTVS 3.385	CN([CH]1CCC(=O)NC1=O)c2ccccc2
CACTVS 3.385	CN([C@H]1CCC(=O)NC1=O)c2ccccc2
OpenEye OEToolkits 2.0.7	CN(c1ccccc1)C2CCC(=O)NC2=O
OpenEye OEToolkits 2.0.7	CN(c1ccccc1)[C@H]2CCC(=O)NC2=O

Name:

(3~{S})-3-[methyl(phenyl)amino]piperidine-2,6-dione

Reference:

Chengxin Zhang, Xi Zhang, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).

Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).